Chemical Properties of Phenol, 3-ethoxy- (CAS 621-34-1)

InChI

InChI=1S/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3

InChI Key

VBIKLMJHBGFTPV-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

CCOc1cccc(O)c1

Molecular Weight¹

138.16

CAS

621-34-1

Other Names

• 3-Ethoxyphenol
• Phenol, m-ethoxy-
• Resorcinol monoethyl ether
• m-Ethoxyphenol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5615		Relay (1.0) Calculated Property
ΔfG°	-130.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-286.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
ΔvapH°	74.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.49 ± 0.15	eV	NIST
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	1.791		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Pc	4311.22	kPa	Joback Calculated Property
Inp	[1264.00; 1264.00]
Inp	1264.00		NIST
Inp	1264.00		NIST
Inp	1264.00		NIST
Ip	[2427.00; 2427.00]
Ip	2427.00		NIST
Ip	2427.00		NIST
Tboil	519.50 ± 0.50	K	NIST
Tc	716.69	K	Relay (1.0) Calculated Property
Tfus	303.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.393	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.23; 354.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.17090e+01
Coefficient B			7.76320e-01
Coefficient C			-5.87960e-04
Coefficient D			1.87800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.23	J/mol×K	273.00	Calculated Property
Cp,gas	187.66	J/mol×K	353.78	Calculated Property
Cp,gas	220.03	J/mol×K	434.56	Calculated Property
Cp,gas	247.91	J/mol×K	515.33	Calculated Property
Cp,gas	271.91	J/mol×K	596.11	Calculated Property
Cp,gas	292.63	J/mol×K	676.89	Calculated Property
Cp,gas	310.64	J/mol×K	757.67	Calculated Property
Cp,gas	326.56	J/mol×K	838.44	Calculated Property
Cp,gas	340.96	J/mol×K	919.22	Calculated Property
Cp,gas	354.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104122; 0.0000656]	Pa×s	[303.15; 515.16]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.68755e+01
Coefficient B			3.73201e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			303.15
Temperature range, max.			515.16
η	0.0104122	Pa×s	303.15	Calculated Property
η	0.0042858	Pa×s	326.71	Calculated Property
η	0.0019878	Pa×s	350.26	Calculated Property
η	0.0010157	Pa×s	373.82	Calculated Property
η	0.0005620	Pa×s	397.38	Calculated Property
η	0.0003323	Pa×s	420.94	Calculated Property
η	0.0002077	Pa×s	444.49	Calculated Property
η	0.0001361	Pa×s	468.05	Calculated Property
η	0.0000929	Pa×s	491.61	Calculated Property
η	0.0000656	Pa×s	515.16	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-ethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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